3-(4-methyl-1,3-thiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-6-amine

C10H9N5S — CID 62538546

IUPAC3-(4-methyl-1,3-thiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-6-amine
SMILESCc1ncsc1-c1nnc2ccc(N)cn12
InChIInChI=1S/C10H9N5S/c1-6-9(16-5-12-6)10-14-13-8-3-2-7(11)4-15(8)10/h2-5H,11H2,1H3
InChIKeySPBOZIGQWLIBAP-UHFFFAOYSA-N
MW231.28 g/mol
LogP1.74
Rot. Bonds1

About 3-(4-methyl-1,3-thiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-6-amine

3-(4-methyl-1,3-thiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-6-amine (PubChem CID 62538546) has the molecular formula C10H9N5S and a molecular weight of 231.28 g/mol. Its IUPAC name is 3-(4-methyl-1,3-thiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-6-amine.

Molecular Properties

Compound Name3-(4-methyl-1,3-thiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-6-amine
PubChem CID62538546
Molecular FormulaC10H9N5S
Molecular Weight231.28 g/mol
Exact Mass231.06
IUPAC Name3-(4-methyl-1,3-thiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-6-amine
SMILESCc1ncsc1-c1nnc2ccc(N)cn12
InChIInChI=1S/C10H9N5S/c1-6-9(16-5-12-6)10-14-13-8-3-2-7(11)4-15(8)10/h2-5H,11H2,1H3
InChIKeySPBOZIGQWLIBAP-UHFFFAOYSA-N
XLogP1.74
TPSA69.10 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.28
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-(4-methyl-1,3-thiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-6-amine?
The IUPAC name of 3-(4-methyl-1,3-thiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-6-amine (CID 62538546) is 3-(4-methyl-1,3-thiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-6-amine.
What is the SMILES notation for 3-(4-methyl-1,3-thiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-6-amine?
The canonical SMILES for 3-(4-methyl-1,3-thiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-6-amine is Cc1ncsc1-c1nnc2ccc(N)cn12.
What is the InChIKey of 3-(4-methyl-1,3-thiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-6-amine?
The InChIKey is SPBOZIGQWLIBAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9N5S/c1-6-9(16-5-12-6)10-14-13-8-3-2-7(11)4-15(8)10/h2-5H,11H2,1H3.
What are the key properties of 3-(4-methyl-1,3-thiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-6-amine?
3-(4-methyl-1,3-thiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-6-amine has a molecular weight of 231.28 g/mol, XLogP of 1.74, 1 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methyl-1,3-thiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-6-amine is sourced from PubChem (CID 62538546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).